SCHEMBL14239368

SCHEMBL14239368

C=CC1(O)CCc2nc3cc(Br)ccc3c(=O)n2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.41
NPC1 O15118 4/20 0.41
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
APP P05067 2/20 0.36
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
USP2 O75604 1/20 0.34
BCHE P06276 1/20 0.34
CFTR P13569 1/20 0.34
ALOX15 P16050 1/20 0.34
ACHE P22303 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GOPC Q9HD26 1/20 0.34
LMNA P02545 1/20 0.34
CYP2C19 P33261 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20989504 0.84 RAB9A (0.39) RAB9ANPC1CRHBPCRHR2APP
SCHEMBL6920433 0.82 RAB9A (0.43) RAB9ANPC1CRHBPCRHR2APP
SCHEMBL2053715 0.80 RAB9A (0.44) RAB9ANPC1CRHBPCRHR2APP
SCHEMBL14239380 0.80 NPC1 (0.41) RAB9ANPC1CRHBPCRHR2APP
SCHEMBL18037011 0.77 RAB9A (0.43) RAB9ANPC1CRHBPCRHR2APP
SCHEMBL6921855 0.77 NPC1 (0.40) RAB9ANPC1CRHBPCRHR2APP
SCHEMBL6922099 0.77 RAB9A (0.47) RAB9ANPC1CRHBPCRHR2APP
SCHEMBL14239926 0.77 NPC1 (0.40) RAB9ANPC1ALDH1A1KDM4ECYP1A2
SCHEMBL6923258 0.75 RAB9A (0.48) RAB9ANPC1CRHBPCRHR2APP
SCHEMBL6922685 0.75 NPC1 (0.47) RAB9ANPC1CRHBPCRHR2APP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640510-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof SUNOVION PHARMACEUTICALS INC. (US) 2020-05-05 US disclosed
US-10196399-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof SUNOVION PHARMACEUTICALS INC. (US) 2019-02-05 US disclosed
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARAMCEUTICALS INC. 2018-02-08 US disclosed
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARAMCEUTICALS INC. 2018-02-08 US disclosed
US-9708331-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2017-07-18 US disclosed
US-9708331-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2017-07-18 US disclosed
US-9260452-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2016-02-16 US disclosed
US-9260452-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2016-02-16 US disclosed
US-20140179682-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-06-26 US disclosed
US-20140179682-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-06-26 US disclosed
WO-2012170845-A2 METABOTROPIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF HEFFERNAN MICHELE L R (US) 2012-12-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10196399-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof GRM5, GRIK5, GRM2 RAB9A 3289/4885NPC1 1799/4885CRHBP 311/4885
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 RAB9A 3289/4885NPC1 1799/4885CRHBP 311/4885
US-10640510-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof GRM5, GRIK5, GRM2 RAB9A 3289/4885NPC1 1799/4885CRHBP 311/4885
US-20140179682-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF GRM5, GRIK5, GRM2 RAB9A 3436/4885NPC1 1920/4885CRHBP 522/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.